- InChI
- InChI=1S/C6H10/c1-5-4-6(5,2)3/h4H,1-3H3
- InChI Key
- MRLAULBRWNYTDV-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CC1=CC1(C)C
- Molecular Weight1
- 82.14
- CAS
- 3664-56-0
- Other Names
-
- Cyclopropene-1,3,3-trimethyl
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 895.40 | kJ/mol | NIST |
| BasG | 865.90 | kJ/mol | NIST |
| ΔfG° | 75.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [26.80; 27.90] | kJ/mol |
|
| ΔvapH° | 27.90 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 26.80 ± 1.70 | kJ/mol | NIST |
| IE | [8.58; 9.00] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 8.58 ± 0.05 | eV | NIST |
| IE | 9.00 | eV | NIST |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.973 | Crippen Calculated Property | |
| McVol | 80.240 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Tboil | 347.80 | K | Joback Calculated Property |
| Tc | 538.54 | K | Joback Calculated Property |
| Tfus | 212.50 | K | Joback Calculated Property |
| Vc | 0.312 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.06; 189.85] | J/mol×K | [347.80; 538.54] |
|
| Cp,gas | 133.06 | J/mol×K | 347.80 | Joback Calculated Property |
| Cp,gas | 144.66 | J/mol×K | 379.59 | Joback Calculated Property |
| Cp,gas | 155.30 | J/mol×K | 411.38 | Joback Calculated Property |
| Cp,gas | 165.05 | J/mol×K | 443.17 | Joback Calculated Property |
| Cp,gas | 174.00 | J/mol×K | 474.96 | Joback Calculated Property |
| Cp,gas | 182.24 | J/mol×K | 506.75 | Joback Calculated Property |
| Cp,gas | 189.85 | J/mol×K | 538.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,3-Trimethylcyclopropene.
Sources
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